3-tert-butyl-1-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide
TL;DR: 3-tert-butyl-1-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide (CAS 395655-31-9) is a chemical compound with molecular formula C16H20N4O3 and molecular weight 316.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-1-methyl-N-(3-methylphenyl)-4-nitropyrazole-5-carboxamide
Also Known As: 3-(tert-butyl)-1-methyl-4-nitro-N-(m-tolyl)-1H-pyrazole-5-carboxamide, 5-tert-Butyl-2-methyl-4-nitro-2H-pyrazole-3-carboxylic acid m-tolylamide, 5-tert-butyl-2-methyl-N-(3-methylphenyl)-4-nitropyrazole-3-carboxamide, 3-tert-butyl-1-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide
| Molecular Formula | C16H20N4O3 |
|---|---|
| Molecular Weight | 316.15 g/mol |
| LogP | 3.18652 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.15353 |
| Heavy Atoms | 23 |
| Complexity | 772.1179 |
Chemical Identifiers
| CAS Number | 395655-31-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)C2=C(C(=NN2C)C(C)(C)C)[N+](=O)[O-] |
Product Overview
3-tert-butyl-1-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide (CAS 395655-31-9), with molecular formula C16H20N4O3 and molecular weight 316.15 g/mol. IUPAC: 3-tert-butyl-1-methyl-N-(3-methylphenyl)-4-nitropyrazole-5-carboxamide.
Chemical Property Profile of 3-tert-butyl-1-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide
Property Insights of 3-tert-butyl-1-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide
The XLogP value of 3.18652 indicates that 3-tert-butyl-1-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-tert-butyl-1-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide. Following Lipinski's Rule of Five, 3-tert-butyl-1-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-tert-butyl-1-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide?
The CAS number of 3-tert-butyl-1-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide is 395655-31-9.
What is the molecular formula of 3-tert-butyl-1-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide?
The molecular formula of 3-tert-butyl-1-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide is C16H20N4O3.
What is the molecular weight of 3-tert-butyl-1-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide?
The molecular weight of 3-tert-butyl-1-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide is 316.15 g/mol.
Where can I buy 3-tert-butyl-1-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide?
You can request a quote for 3-tert-butyl-1-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-tert-butyl-1-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-tert-butyl-1-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.